BDBM50287019 3-Benzylsulfanyl-4-hydroxy-6-(3-methoxy-phenyl)-pyran-2-one::CHEMBL14828

SMILES: COc1cccc(c1)-c1cc(O)c(SCc2ccccc2)c(=O)o1

InChI Key: InChIKey=NVZVGKLRFXDTRT-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287019   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50287019 (3-Benzylsulfanyl-4-hydroxy-6-(3-methoxy-phenyl)-py...) Show SMILES COc1cccc(c1)-c1cc(O)c(SCc2ccccc2)c(=O)o1 Show InChI InChI=1S/C19H16O4S/c1-22-15-9-5-8-14(10-15)17-11-16(20)18(19(21)23-17)24-12-13-6-3-2-4-7-13/h2-11,20H,12H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 protease(PR).				Bioorg Med Chem Lett 6: 1133-1138 (1996) Article DOI: 10.1016/0960-894X(96)00185-0 BindingDB Entry DOI: 10.7270/Q2GB2418
					More data for this Ligand-Target Pair